1.0 2016-09-30 23:26:44 UTC 2020-04-22 15:18:49 UTC BMDB0006846 BMDB06846 24-Methylenelophenol 24-Methylene lophenol 4-alpha-Methyl-5-alpha-ergosta-7,24-dien-3-beta-ol 4-a-Methyl-5-a-ergosta-7,24-dien-3-b-ol 4-Α-methyl-5-α-ergosta-7,24-dien-3-β-ol (3beta,4alpha,5alpha)- 4-Methyl-ergosta-7,24(28)-dien-3-ol 24-Methylene-lophenol 4.alpha-methylepisterol 4Alpha.-methyl-24-methylene-5alpha-cholest-7-en-3beta-ol 4Alpha.-methyl-5alpha-ergosta-7,24(28)-dien-3beta.-ol Gramisterin Gramisterol 4-Methyl-5-ergosta-7,24(24')-diene-3-ol (3beta,4alpha,5alpha)-4-Methylergosta-7,24(28)-dien-3-ol (3Β,4α,5α)-4-methylergosta-7,24(28)-dien-3-ol 4alpha-Methyl-24-methylene-5alpha-cholest-7-en-3beta-ol 4alpha-Methylepisterol 4Α-methyl-24-methylene-5α-cholest-7-en-3β-ol 4Α-methylepisterol 24-Methylenelophenol C29H48O 412.6908 412.370516158 (1R,2S,5S,6S,7S,11R,14R,15R)-2,6,15-trimethyl-14-[(2R)-6-methyl-5-methylideneheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-9-en-5-ol (1R,2S,5S,6S,7S,11R,14R,15R)-2,6,15-trimethyl-14-[(2R)-6-methyl-5-methylideneheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-9-en-5-ol 1176-52-9 [H][C@@]1(CC[C@@]2([H])C3=CC[C@@]4([H])[C@H](C)[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=C)C(C)C InChI=1S/C29H48O/c1-18(2)19(3)8-9-20(4)23-12-13-25-22-10-11-24-21(5)27(30)15-17-29(24,7)26(22)14-16-28(23,25)6/h10,18,20-21,23-27,30H,3,8-9,11-17H2,1-2,4-7H3/t20-,21+,23-,24+,25+,26+,27+,28-,29+/m1/s1 RSMKYRDCCSNYFM-AAGDOFLISA-N belongs to the class of organic compounds known as ergosterols and derivatives. These are steroids containing ergosta-5,7,22-trien-3beta-ol or a derivative thereof, which is based on the 3beta-hydroxylated ergostane skeleton. Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Ergostane steroids Ergosterols and derivatives 3-beta-hydroxysteroids 3-hydroxy delta-7-steroids Cyclic alcohols and derivatives Delta-7-steroids Hydrocarbon derivatives Secondary alcohols 3-beta-hydroxysteroid 3-hydroxy-delta-7-steroid 3-hydroxysteroid Alcohol Aliphatic homopolycyclic compound Cyclic alcohol Delta-7-steroid Ergosterol-skeleton Hydrocarbon derivative Hydroxysteroid Organic oxygen compound Organooxygen compound Secondary alcohol Aliphatic homopolycyclic compounds 3beta-hydroxy steroid Ergosterols and C24-methyl derivatives Solid logp 6.99 ALOGPS logs -6.33 ALOGPS logp 7.42 ChemAxon pka_strongest_acidic 18.96 ChemAxon pka_strongest_basic -1.1 ChemAxon iupac (1R,2S,5S,6S,7S,11R,14R,15R)-2,6,15-trimethyl-14-[(2R)-6-methyl-5-methylideneheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-9-en-5-ol ChemAxon average_mass 412.6908 ChemAxon mono_mass 412.370516158 ChemAxon smiles [H][C@@]1(CC[C@@]2([H])C3=CC[C@@]4([H])[C@H](C)[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=C)C(C)C ChemAxon formula C29H48O ChemAxon inchi InChI=1S/C29H48O/c1-18(2)19(3)8-9-20(4)23-12-13-25-22-10-11-24-21(5)27(30)15-17-29(24,7)26(22)14-16-28(23,25)6/h10,18,20-21,23-27,30H,3,8-9,11-17H2,1-2,4-7H3/t20-,21+,23-,24+,25+,26+,27+,28-,29+/m1/s1 ChemAxon inchikey RSMKYRDCCSNYFM-AAGDOFLISA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 129.41 ChemAxon polarizability 53.46 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 4 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 20326 Specdb::CMs 39116 Specdb::CMs 134866 Specdb::CMs 142600 Specdb::MsMs 311281 Specdb::MsMs 311282 Specdb::MsMs 311283 Specdb::MsMs 356209 Specdb::MsMs 356210 Specdb::MsMs 356211 Specdb::MsMs 2747563 Specdb::MsMs 2747564 Specdb::MsMs 2747565 Specdb::MsMs 2931321 Specdb::MsMs 2931322 Specdb::MsMs 2931323 FDB011547 4446733 5283640 C11522 29107 C00007320